(3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate

C18H22N2O3 — CID 23063328

IUPAC(3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCc1cc(Cc2ccccc2)no1
InChIInChI=1S/C18H22N2O3/c21-18(19-15-9-5-2-6-10-15)22-13-17-12-16(20-23-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,12,15H,2,5-6,9-11,13H2,(H,19,21)
InChIKeyXHQFWXGWRPSTJT-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.82
Rot. Bonds5

About (3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate

(3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate (PubChem CID 23063328) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name(3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate
PubChem CID23063328
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCc1cc(Cc2ccccc2)no1
InChIInChI=1S/C18H22N2O3/c21-18(19-15-9-5-2-6-10-15)22-13-17-12-16(20-23-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,12,15H,2,5-6,9-11,13H2,(H,19,21)
InChIKeyXHQFWXGWRPSTJT-UHFFFAOYSA-N
XLogP3.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate?
The IUPAC name of (3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate (CID 23063328) is (3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate.
What is the SMILES notation for (3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate?
The canonical SMILES for (3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCc1cc(Cc2ccccc2)no1.
What is the InChIKey of (3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate?
The InChIKey is XHQFWXGWRPSTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-18(19-15-9-5-2-6-10-15)22-13-17-12-16(20-23-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,12,15H,2,5-6,9-11,13H2,(H,19,21).
What are the key properties of (3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate?
(3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate has a molecular weight of 314.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1,2-oxazol-5-yl)methyl N-cyclohexylcarbamate is sourced from PubChem (CID 23063328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).